10190-69-9
Product Name:
sodium 6-methyl-2'-[4-[[2-oxo-1-[(phenylamino)carbonyl]propyl]azo]phenyl][2,6'-bibenzothiazole]-7-sulphonate
Formula:
C31H22N5NaO5S3
Inquiry
COMPUTED DESCRIPTORS
| Molecular Weight | 663.7 g/mol |
|---|---|
| Hydrogen Bond Donor Count | 1 |
| Hydrogen Bond Acceptor Count | 11 |
| Rotatable Bond Count | 8 |
| Exact Mass | 663.06807662 g/mol |
| Monoisotopic Mass | 663.06807662 g/mol |
| Topological Polar Surface Area | 219 Ų |
| Heavy Atom Count | 45 |
| Formal Charge | 0 |
| Complexity | 1180 |
| Isotope Atom Count | 0 |
| Defined Atom Stereocenter Count | 0 |
| Undefined Atom Stereocenter Count | 1 |
| Defined Bond Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| Covalently-Bonded Unit Count | 2 |
| Compound Is Canonicalized | Yes |